methyl 2-diazo-2-(2-methylphenyl)acetate

C10H10N2O2 — CID 75094302

IUPACmethyl 2-diazo-2-(2-methylphenyl)acetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccccc1C
InChIInChI=1S/C10H10N2O2/c1-7-5-3-4-6-8(7)9(12-11)10(13)14-2/h3-6H,1-2H3
InChIKeyGFMNDNANDNZAAW-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.19
Rot. Bonds2

About methyl 2-diazo-2-(2-methylphenyl)acetate

methyl 2-diazo-2-(2-methylphenyl)acetate (PubChem CID 75094302) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 2-diazo-2-(2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-diazo-2-(2-methylphenyl)acetate
PubChem CID75094302
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 2-diazo-2-(2-methylphenyl)acetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccccc1C
InChIInChI=1S/C10H10N2O2/c1-7-5-3-4-6-8(7)9(12-11)10(13)14-2/h3-6H,1-2H3
InChIKeyGFMNDNANDNZAAW-UHFFFAOYSA-N
XLogP1.19
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-2-(2-methylphenyl)acetate?
The IUPAC name of methyl 2-diazo-2-(2-methylphenyl)acetate (CID 75094302) is methyl 2-diazo-2-(2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-diazo-2-(2-methylphenyl)acetate?
The canonical SMILES for methyl 2-diazo-2-(2-methylphenyl)acetate is COC(=O)C(=[N+]=[N-])c1ccccc1C.
What is the InChIKey of methyl 2-diazo-2-(2-methylphenyl)acetate?
The InChIKey is GFMNDNANDNZAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-5-3-4-6-8(7)9(12-11)10(13)14-2/h3-6H,1-2H3.
What are the key properties of methyl 2-diazo-2-(2-methylphenyl)acetate?
methyl 2-diazo-2-(2-methylphenyl)acetate has a molecular weight of 190.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-2-(2-methylphenyl)acetate is sourced from PubChem (CID 75094302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).